(3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide

C16H24ClN3O4S — CID 97257435

IUPAC(3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESCC(C)Oc1c(Cl)cccc1NC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1
InChIInChI=1S/C16H24ClN3O4S/c1-11(2)24-15-13(17)6-3-7-14(15)19-16(21)20-8-4-5-12(9-20)10-25(18,22)23/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,19,21)(H2,18,22,23)/t12-/m1/s1
InChIKeyUKSYYAJCAGEKMV-GFCCVEGCSA-N
MW389.91 g/mol
LogP2.66
Rot. Bonds5

About (3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide

(3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide (PubChem CID 97257435) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is (3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide
PubChem CID97257435
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name(3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESCC(C)Oc1c(Cl)cccc1NC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1
InChIInChI=1S/C16H24ClN3O4S/c1-11(2)24-15-13(17)6-3-7-14(15)19-16(21)20-8-4-5-12(9-20)10-25(18,22)23/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,19,21)(H2,18,22,23)/t12-/m1/s1
InChIKeyUKSYYAJCAGEKMV-GFCCVEGCSA-N
XLogP2.66
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71870273
(2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide
CID 97436050
[1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide
CID 102602947
ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate
CID 87044646
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
1-[(3-chloro-2-propan-2-yloxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085016
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840487
[(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 96515234
ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51944275
N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 111475075
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide (CID 97257435) is (3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide is CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1.
What is the InChIKey of (3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide?
The InChIKey is UKSYYAJCAGEKMV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24ClN3O4S/c1-11(2)24-15-13(17)6-3-7-14(15)19-16(21)20-8-4-5-12(9-20)10-25(18,22)23/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,19,21)(H2,18,22,23)/t12-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide?
(3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide has a molecular weight of 389.91 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97257435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).